SCHEMBL4564150

SCHEMBL4564150

COc1ccccc1-c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 5/20 0.45
PDE5A O76074 4/20 0.45
FGFR1 P11362 2/20 0.43
FGFR2 P21802 2/20 0.43
AURKA O14965 1/20 0.41
PDE2A O00408 1/20 0.40
PDE10A Q9Y233 1/20 0.40
DCUN1D1 Q96GG9 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
POLB P06746 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
S1PR1 P21453 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5067490 0.77 CCNT1 (0.46) PDE5A
SCHEMBL938466 0.75 GUSB (0.55) PDE5ACSNK2A2CSNK2B
SCHEMBL22323763 0.75 PDE5A (0.52) AMY1APDE5AFGFR1FGFR2AURKA
SCHEMBL4564224 0.75 PDE5A (0.49) AMY1APDE5AFGFR1FGFR2AURKA
SCHEMBL14012673 0.74 DRD4 (0.36) PDE5AFGFR1FGFR2PDE2APDE10A
SCHEMBL4563904 0.72 HTR7 (0.47)
SCHEMBL5064312 0.72 CARM1 (0.57)
SCHEMBL13607927 0.69 GRIN1 (0.49) PDE5A
SCHEMBL14235503 0.68 NPBWR1 (0.41)
SCHEMBL1482545 0.68 PDE5A (0.59) AMY1APDE5AAURKAALDH1A1HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338437-B2 Methyl transferase inhibitors; antiproliferative agents; antiinflammatory agents; immunotherapy; infection therapy METHYLGENE INC. (CA) 2012-12-25 US disclosed
US-8338437-B2 Methyl transferase inhibitors; antiproliferative agents; antiinflammatory agents; immunotherapy; infection therapy METHYLGENE INC. (CA) 2012-12-25 US disclosed
US-8338437-B2 Methyl transferase inhibitors; antiproliferative agents; antiinflammatory agents; immunotherapy; infection therapy METHYLGENE INC. (CA) 2012-12-25 US disclosed
EP-2137158-A1 SMALL MOLECULE INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES (PRMTS) MethylGene Inc. (CA) 2009-12-30 EP disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 US disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 US disclosed
US-20080280925-A1 Amines as Small Molecule Inhibitors METHYLGENE INC. 2008-11-13 US disclosed
WO-2008104077-A1 SMALL MOLECULE INHIBITORS OF PROTEIN ARGININE METHYLTRANSFERASES (PRMTS) METHYLGENE INC. (CA) 2008-09-04 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080280925-A1 Amines as Small Molecule Inhibitors CARM1, PRMT1, PRMT3 AMY1A 3140/4885PDE5A 290/4885FGFR1 3413/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.